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EC number: 262-980-8 | CAS number: 61788-49-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 15 January 2018 - 02 February 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- read-across: supporting information
Reference
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiencies, which do not affect the quality of relevant results.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
- Principles of method if other than guideline:
- WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Remarks:
- (Calculation)
- Type of method:
- other: Estimated by Calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.73
- Remarks on result:
- other: pH and temperature were not relevant
- Details on results:
- The estimation for the 1-Hexadecanol waslog Pow is 6.73
- Conclusions:
- WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
The estimation for the 1-Hexadecanol was L og Pow is 6.73 - Executive summary:
No determination of partition coefficient by Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC) was possible.
The partition coefficient was therefore estimated by a WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United
States Environmental Protection Agency.
The estimation for the 1-Hexadecanol waslog10Pow 6.73
- Reason / purpose for cross-reference:
- read-across: supporting information
Reference
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiencies, which do not affect the quality of the relevant results.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
- Deviations:
- no
- Principles of method if other than guideline:
- WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States
Environmental Protection Agency, Washington, DC, USA. - GLP compliance:
- no
- Remarks:
- Calculation
- Type of method:
- other: Estimation by calculation
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: Not scientifically feasible
- Type:
- log Pow
- Partition coefficient:
- ca. 8.739
- Remarks on result:
- other: Temperature and pH values are not required.
- Details on results:
- Using the software, cholesterol was estimated to have a partition coefficient (log10 Pow) of 8.7386
- Conclusions:
- The partition coefficient of cholesterol was estimated by WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United
States Environmental Protection Agency, Washington, DC, USA.
The estimation for the test material was log10 Pow 8.7386. - Executive summary:
No determination of partition coefficient by Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC) was possible.
The partition coefficient was therefore estimated by a WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency.
The estimation for the cholesterol was log10Pow 8.7386
- Reason / purpose for cross-reference:
- read-across: supporting information
Reference
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiencies, which do not affect the quality of relevant results.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
- Principles of method if other than guideline:
- WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Remarks:
- Calculation
- Type of method:
- other: Estimated calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 10.792
- Remarks on result:
- other: temperature and pH irrelevant
- Conclusions:
- WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
- Executive summary:
No determination of partition coefficient by Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC) was possible.
The partition coefficient was therefore estimated by a WSKOW (v1.41); Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency.
Log10 Pow of LANOSTA-8,24-DIEN-3-OL (lanosterol) was estimated to be 10.7918
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method. March 04, 2016.
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Acetic acid, esters with lanolin alcs.
- EC Number:
- 262-980-8
- EC Name:
- Acetic acid, esters with lanolin alcs.
- Cas Number:
- 61788-49-6
- Molecular formula:
- C29H48O2
- IUPAC Name:
- Acetic acid, esters with lanolin alcs.
- Test material form:
- liquid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- > 0
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other:
- Remarks:
- Peak area (%):3.6, 2.0, 15, 6.7, and 72
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 7.2
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other:
- Remarks:
- Peak area (%):3.6, 2.0, 15, 6.7, and 72
Any other information on results incl. tables
Table 1: Log Pow and Pow of test material
Substance |
Retention time (min) |
Log Pow |
Pow |
Peak area (%) |
||
t,1 |
t,2 |
mean |
||||
4,4'-DDT |
10.622 |
10.635 |
10.629 |
6.5 |
||
Benzo[ghi]perylene |
17.580 |
17.592 |
17.586 |
7.2 |
||
Test item peak 1 |
22.535 |
22.328 |
22.432 |
>7.2 |
> 1.6E+07 |
3.6 |
test item peak 2 |
22.805 |
22.801 |
22.803 |
>7.2 |
> 1.6E+07 |
2.0 |
test item peak 3 |
23.152 |
23.141 |
23.147 |
>7.2 |
> 1.6E+07 |
15 |
test item peak 4 |
23.567 |
23.559 |
23.563 |
>7.2 |
> 1.6E+07 |
6.7 |
test item peak 5 |
24.329 |
24.230 |
24.235 |
>7.2 |
> 1.6E+07 |
72 |
Applicant's summary and conclusion
- Conclusions:
- It was concluded that the log Pow of test item was > 7.2 (Pow > 1.6E+07).
- Executive summary:
In the chromatogram of the test item solution, five peaks with a retention time of > 22 minutes were observed. Under the same analytical conditions, the retention time of 4,4’-DDT (log Pow = 6.5) was 10.6 minutes and for benzo[ghi]perylene (log Pow = 7.2) 17.6 minutes. It was concluded that the log Pow of test item was > 7.2 (Pow > 1.6E+07).
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